N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide

C14H18F2N2O3S — CID 48734174

IUPACN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C14H18F2N2O3S/c1-17(22(2,20)21)11-5-7-18(8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8H2,1-2H3
InChIKeyXHPUQPPIIMHNNK-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.46
Rot. Bonds3

About N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 48734174) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID48734174
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C14H18F2N2O3S/c1-17(22(2,20)21)11-5-7-18(8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8H2,1-2H3
InChIKeyXHPUQPPIIMHNNK-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585099
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 78803343
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430549
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,4-difluorophenyl)methanone
CID 90584821
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide (CID 48734174) is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(C(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is XHPUQPPIIMHNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-17(22(2,20)21)11-5-7-18(8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 48734174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).